2-Dimethylaminomethylenecyclohexane-1,3-dione - ≥95% , CAS No.85302-07-4

CAS: 85302-07-4 Cat. No.: D479567 Molecular Weight: 167.21 EC Number: 859-351-0
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
STK790242 | Z57107745 | AKOS000674749 | 2-((Dimethylamino)-methylene)cyclohexane-1,3-dione | 2-(dimethylaminomethylene)-cyclohexane- 1,3-dione | 2-dimethylaminomethylidenecyclohexane-1,3-dione | 2-[(Dimethylamino)methylene]-1,3-cyclohexanedione | Cyclohex
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
D479567-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$33.90
1g
D479567-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$91.90
5g
D479567-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$319.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
STK790242 | Z57107745 | AKOS000674749 | 2-((Dimethylamino)-methylene)cyclohexane-1, 3-dione | 2-(dimethylaminomethylene)-cyclohexane- 1, 3-dione | 2-dimethylaminomethylidenecyclohexane-1, 3-dione | 2-[(Dimethylamino)methylene]-1, 3-cyclohexanedione | Cyclohex
Specifications & Purity
≥95%
Legal Information
Product of Synthonix
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCN(C)C=C1C(=O)CCCC1=O
IUPAC Name2-(dimethylaminomethylidene)cyclohexane-1,3-dione
InChIKeyUSUMAAZJCOVPIN-UHFFFAOYSA-N
INCHI1S/C9H13NO2/c1-10(2)6-7-8(11)4-3-5-9(7)12/h6H,3-5H2,1-2H3
Isomeric SMILES CN(C)C=C1C(=O)CCCC1=O
Molecular Weight 167.21
Reaxy-Rn 3089317
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3089317&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassVinylogous amides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentVinylogous amides
Alternative Parents Trialkylamines  Cyclic ketones  Enamines  Allylamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Enamine - Allylamine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as vinylogous amides. These are organic compounds containing an amine group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
K2513319Certificate of AnalysisSep 15, 2025 D479567
K2513320Certificate of AnalysisSep 15, 2025 D479567
K2513322Certificate of AnalysisSep 15, 2025 D479567
Chemical and Physical Properties
Molecular Weight167.200 g/mol
XLogP30.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.095 Da
Monoisotopic Mass167.095 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity223.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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